11.10. Kspace styles

Classes that compute long-range Coulombic interactions via K-space representations (Ewald, PPPM) are derived from the KSpace class. New styles can be created to add new K-space options to LAMMPS.

Ewald.cpp is an example of computing K-space interactions.

Here is a brief description of methods you define in your new derived class. See kspace.h for details.

init

initialize the calculation before a run

setup

computation before the first timestep of a run

compute

every-timestep computation

memory_usage

tally of memory usage